SCHEMBL5163520

SCHEMBL5163520

NC(=O)Cc1ccc(N)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
ALOX15 P16050 2/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 6/20 0.53
TDP1 Q9NUW8 4/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.51
TSHR P16473 2/20 0.50
RECQL P46063 1/20 0.50
PDK1 Q15118 1/20 0.40
SNCA P37840 1/20 0.40
LMNA P02545 2/20 0.39
PARP1 P09874 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1369706 0.87 CYP1A2 (0.69) L3MBTL1ALOX15MAPK1HSD17B10ALDH1A1
SCHEMBL11597118 0.83 CYP1A2 (0.73) MAPK1ALDH1A1TDP1CYP1A2TSHR
SCHEMBL38658431 0.82 ALDH1A1 (0.64) L3MBTL1ALOX15MAPK1HSD17B10ALDH1A1
SCHEMBL7594106 0.82 CYP1A2 (0.50) L3MBTL1MAPK1ALDH1A1TDP1CYP1A2
SCHEMBL28263084 0.82 NPC1 (0.51) L3MBTL1MAPK1CYP3A4CYP1A2TSHR
SCHEMBL25412108 0.82 CYP1A2 (0.50) L3MBTL1MAPK1ALDH1A1CYP1A2PDK1
SCHEMBL29764342 0.82 CYP1A2 (0.50) L3MBTL1ALDH1A1CYP3A4CYP1A2PDK1
SCHEMBL5957215 0.81 PDGFRB (0.56) L3MBTL1ALOX15MAPK1HSD17B10ALDH1A1
SCHEMBL8744287 0.81 ALOX15 (0.59) L3MBTL1ALOX15MAPK1HSD17B10ALDH1A1
SCHEMBL30807890 0.81 CYP1A2 (0.49) L3MBTL1MAPK1ALDH1A1CYP3A4CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US disclosed
WO-2007026312-A1 1,3-DIAMINOBENZENE DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO disclosed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds KRT18, DSP, DSG1 L3MBTL1 4395/4885ALOX15 1778/4885MAPK1 77/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.